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pole.cpp File Reference

Implementation of the pole expansion subroutines. More...

#include "pexsi/pole.hpp"

Namespaces

 PEXSI
 The main namespace.
 

Functions

Complex PEXSI::fd (Complex z, double beta, double mu)
 
Complex PEXSI::fdDrvMu (Complex z, double beta, double mu)
 
Complex PEXSI::fdDrvT (Complex z, double beta, double mu)
 
Complex PEXSI::egy (Complex z, double beta, double mu)
 
Complex PEXSI::hmz (Complex z, double beta, double mu)
 
void PEXSI::ellipkkp (double *K, double *Kp, double *pL)
 
void PEXSI::ellipjc (Complex *psn, Complex *pcn, Complex *pdn, Complex *pu, double *pL, int *flag)
 
int PEXSI::GetPoleFunc (Complex(*func)(Complex, double, double), Complex *zshift, Complex *zweight, int *Npole, double *temp, double *gap, double *deltaE, double *mu)
 Compute the pole expansion. More...
 
int PEXSI::GetPoleUpdateFunc (Complex(*func)(Complex, double, double), Complex *zshift, Complex *zweight, int *Npole, double *temp, double *gap, double *deltaE, double *mu, double *dmu)
 Compute the update of the pole expansion. More...
 
int PEXSI::GetPoleDensity (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
 Pole expansion for the Fermi-Dirac operator. More...
 
int PEXSI::GetPoleDensityDrvMu (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
 Pole expansion for the derivative of the Fermi-Dirac operator with respect to the chemical potential mu. More...
 
int PEXSI::GetPoleDensityDrvT (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
 Pole expansion for the derivative of the Fermi-Dirac operator with respect to the temperature T \((1/\beta)\). More...
 
int PEXSI::GetPoleHelmholtz (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
 Pole expansion for the Helmholtz free energy function. More...
 
int PEXSI::GetPoleForce (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu)
 Pole expansion for the energy density function. More...
 
int PEXSI::GetPoleDensityUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu)
 Pole expansion for the Fermi-Dirac operator and update the weight at mu+dmu. More...
 
int PEXSI::GetPoleHelmholtzUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu)
 Pole expansion for the Helmholtz free energy function. More...
 
int PEXSI::GetPoleForceUpdate (Complex *zshift, Complex *zweight, int Npole, double temp, double gap, double deltaE, double mu, double dmu)
 Pole expansion for the energy density function. More...
 

Detailed Description

Implementation of the pole expansion subroutines.

Date
2011-11-15 Original version.
2015-11-24 Add capability for updating the chemical potential.